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CHEBI:226597 - Brasilianoid H

ChEBI IDCHEBI:226597
ChEBI NameBrasilianoid H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESC=C1[C@@]2(C)C[C@@H]3[C@](C)(CC[C@@]4(CCC(=O)OC4(C)C)[C@]34CO4)[C@@]13C(=O)O[C@@H](C)[C@@]3(O)C2=O
InChIInChI=1S/C25H32O7/c1-13-20(5)11-15-21(6,24(13)18(28)31-14(2)25(24,29)17(20)27)9-10-22(23(15)12-30-23)8-7-16(26)32-19(22,3)4/h14-15,29H,1,7-12H2,2-6H3/t14-,15+,20+,21-,22+,23-,24-,25+/m0/s1
InChIKeyOKSYTVPAEJFCAV-IQWFBRNSSA-N
Species of MetaboliteComponentSourceComments
Penicillium brasilianum (ncbitaxon:104259) - DOI (10.1016/j.tet.2019.02.037)
ChEBI Ontology
Outgoing Relation(s)
Brasilianoid H (CHEBI:226597) is a δ-lactone (CHEBI:18946)